N-[2-[(2R,5S,6R)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)carbamoylamino]-6-(hydroxymethyl)oxan-2-yl]ethyl]oxane-4-carboxamide

C20H32N4O6 — CID 54639596

IUPACN-[2-[(2R,5S,6R)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)carbamoylamino]-6-(hydroxymethyl)oxan-2-yl]ethyl]oxane-4-carboxamide
SMILESCc1noc(C)c1NC(=O)N[C@H]1CC[C@H](CCNC(=O)C2CCOCC2)O[C@H]1CO
InChIInChI=1S/C20H32N4O6/c1-12-18(13(2)30-24-12)23-20(27)22-16-4-3-15(29-17(16)11-25)5-8-21-19(26)14-6-9-28-10-7-14/h14-17,25H,3-11H2,1-2H3,(H,21,26)(H2,22,23,27)/t15-,16+,17+/m1/s1
InChIKeyFADSLUGYRKRULA-IKGGRYGDSA-N
MW424.50 g/mol
LogP1.25
Rot. Bonds7

About N-[2-[(2R,5S,6R)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)carbamoylamino]-6-(hydroxymethyl)oxan-2-yl]ethyl]oxane-4-carboxamide

N-[2-[(2R,5S,6R)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)carbamoylamino]-6-(hydroxymethyl)oxan-2-yl]ethyl]oxane-4-carboxamide (PubChem CID 54639596) has the molecular formula C20H32N4O6 and a molecular weight of 424.50 g/mol. Its IUPAC name is N-[2-[(2R,5S,6R)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)carbamoylamino]-6-(hydroxymethyl)oxan-2-yl]ethyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[2-[(2R,5S,6R)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)carbamoylamino]-6-(hydroxymethyl)oxan-2-yl]ethyl]oxane-4-carboxamide
PubChem CID54639596
Molecular FormulaC20H32N4O6
Molecular Weight424.50 g/mol
Exact Mass424.23
IUPAC NameN-[2-[(2R,5S,6R)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)carbamoylamino]-6-(hydroxymethyl)oxan-2-yl]ethyl]oxane-4-carboxamide
SMILESCc1noc(C)c1NC(=O)N[C@H]1CC[C@H](CCNC(=O)C2CCOCC2)O[C@H]1CO
InChIInChI=1S/C20H32N4O6/c1-12-18(13(2)30-24-12)23-20(27)22-16-4-3-15(29-17(16)11-25)5-8-21-19(26)14-6-9-28-10-7-14/h14-17,25H,3-11H2,1-2H3,(H,21,26)(H2,22,23,27)/t15-,16+,17+/m1/s1
InChIKeyFADSLUGYRKRULA-IKGGRYGDSA-N
XLogP1.25
TPSA134.95 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 51.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze N-[2-[(2R,5S,6R)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)carbamoylamino]-6-(hydroxymethyl)oxan-2-yl]ethyl]oxane-4-carboxamide with MolForge

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Related Compounds

N-[2-[(2R,5R,6S)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)carbamoylamino]-6-(hydroxymethyl)oxan-2-yl]ethyl]cyclopentanecarboxamide
CID 54645726
N-[2-[(2S,5S,6R)-6-(hydroxymethyl)-5-(propan-2-ylcarbamoylamino)oxan-2-yl]ethyl]oxane-4-carboxamide
CID 54641040
1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[2-[(2R,5R,6R)-5-[(3-fluorophenyl)carbamoylamino]-6-(hydroxymethyl)oxan-2-yl]ethyl]urea
CID 54642794
N-[2-[(2S,5R,6R)-5-[(2-fluorophenyl)carbamoylamino]-6-(hydroxymethyl)oxan-2-yl]ethyl]oxane-4-carboxamide
CID 54643772
N-[2-[(2S,5R,6S)-5-[(3-chlorophenyl)carbamoylamino]-6-(hydroxymethyl)oxan-2-yl]ethyl]oxane-4-carboxamide
CID 54640238
N-[2-[(2S,5S,6R)-5-(1,3-benzodioxol-5-ylcarbamoylamino)-6-(hydroxymethyl)oxan-2-yl]ethyl]oxane-4-carboxamide
CID 54644635
N-[2-[(2S,5R,6R)-5-acetamido-6-(hydroxymethyl)oxan-2-yl]ethyl]cyclopropanecarboxamide
CID 54639273
N-[2-[(2R,5S,6S)-5-acetamido-6-(hydroxymethyl)oxan-2-yl]ethyl]cyclopropanecarboxamide
CID 54639270
N-[2-[(2S,5R,6S)-6-(hydroxymethyl)-5-(propan-2-ylcarbamoylamino)oxan-2-yl]ethyl]cyclopropanecarboxamide
CID 54644908
N-[2-[(2R,5S,6R)-6-(hydroxymethyl)-5-(propan-2-ylcarbamoylamino)oxan-2-yl]ethyl]cyclobutanecarboxamide
CID 54645512
N-[2-[(2S,5S,6R)-5-acetamido-6-(hydroxymethyl)oxan-2-yl]ethyl]cyclobutanecarboxamide
CID 54645451
N-[(3,4-dichlorophenyl)methyl]-2-[(2S,5S,6S)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)carbamoylamino]-6-(hydroxymethyl)oxan-2-yl]acetamide
CID 54641134

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2R,5S,6R)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)carbamoylamino]-6-(hydroxymethyl)oxan-2-yl]ethyl]oxane-4-carboxamide?
The IUPAC name of N-[2-[(2R,5S,6R)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)carbamoylamino]-6-(hydroxymethyl)oxan-2-yl]ethyl]oxane-4-carboxamide (CID 54639596) is N-[2-[(2R,5S,6R)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)carbamoylamino]-6-(hydroxymethyl)oxan-2-yl]ethyl]oxane-4-carboxamide.
What is the SMILES notation for N-[2-[(2R,5S,6R)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)carbamoylamino]-6-(hydroxymethyl)oxan-2-yl]ethyl]oxane-4-carboxamide?
The canonical SMILES for N-[2-[(2R,5S,6R)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)carbamoylamino]-6-(hydroxymethyl)oxan-2-yl]ethyl]oxane-4-carboxamide is Cc1noc(C)c1NC(=O)N[C@H]1CC[C@H](CCNC(=O)C2CCOCC2)O[C@H]1CO.
What is the InChIKey of N-[2-[(2R,5S,6R)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)carbamoylamino]-6-(hydroxymethyl)oxan-2-yl]ethyl]oxane-4-carboxamide?
The InChIKey is FADSLUGYRKRULA-IKGGRYGDSA-N. The full InChI is InChI=1S/C20H32N4O6/c1-12-18(13(2)30-24-12)23-20(27)22-16-4-3-15(29-17(16)11-25)5-8-21-19(26)14-6-9-28-10-7-14/h14-17,25H,3-11H2,1-2H3,(H,21,26)(H2,22,23,27)/t15-,16+,17+/m1/s1.
What are the key properties of N-[2-[(2R,5S,6R)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)carbamoylamino]-6-(hydroxymethyl)oxan-2-yl]ethyl]oxane-4-carboxamide?
N-[2-[(2R,5S,6R)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)carbamoylamino]-6-(hydroxymethyl)oxan-2-yl]ethyl]oxane-4-carboxamide has a molecular weight of 424.50 g/mol, XLogP of 1.25, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2R,5S,6R)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)carbamoylamino]-6-(hydroxymethyl)oxan-2-yl]ethyl]oxane-4-carboxamide is sourced from PubChem (CID 54639596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).